| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:45:50 UTC |
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| Update Date | 2025-03-24 14:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00880305 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C46H53N5O12 |
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| Molecular Mass | 867.3691 |
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| SMILES | CC1=C(CCC(=O)O)C2=NC1=Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(C)c1CCC(=O)O)C2 |
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| InChI Key | ZAEZZSBKKGHHAW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrapyrroles and derivatives |
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| Subclass | metallotetrapyrroles |
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| Direct Parent | metallotetrapyrroles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdipyrrinsheteroaromatic compoundshexacarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleimineheteroaromatic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundmetallotetrapyrrole skeletonhexacarboxylic acid or derivativesorganooxygen compound |
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